(1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate

Systemtic Name: (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate Openeye Name: (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate CAS Name: 4-(1-butoxyethyl)benzoic acid (1-pentadecyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-pentadecyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate Traditional Name: 4-(1-butoxyethyl)benzoic acid (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C40H58O3 MolecularWeight: 586.88672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCC

InChI

InChI=1S/C40H58O3/c1-4-6-8-9-10-11-12-13-14-15-16-17-21-30-40(31-28-37(29-32-40)36-22-19-18-20-23-36)43-39(41)38-26-24-35(25-27-38)34(3)42-33-7-5-2/h18-20,22-29,31-32,34,37H,4-17,21,30,33H2,1-3H3